N-(2,3-dimethyl-4-nitrophenyl)benzamide

C15H14N2O3 — CID 156690206

IUPACN-(2,3-dimethyl-4-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccccc2)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H14N2O3/c1-10-11(2)14(17(19)20)9-8-13(10)16-15(18)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,18)
InChIKeyCBPCYSDUNGLDAX-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.46
Rot. Bonds3

About N-(2,3-dimethyl-4-nitrophenyl)benzamide

N-(2,3-dimethyl-4-nitrophenyl)benzamide (PubChem CID 156690206) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2,3-dimethyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-4-nitrophenyl)benzamide
PubChem CID156690206
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(2,3-dimethyl-4-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2ccccc2)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H14N2O3/c1-10-11(2)14(17(19)20)9-8-13(10)16-15(18)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,18)
InChIKeyCBPCYSDUNGLDAX-UHFFFAOYSA-N
XLogP3.46
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethyl-4-nitrophenyl)-4-fluorobenzamide
CID 2938533
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
N-(4-iodo-2-nitrophenyl)benzamide
CID 177460424
N-(1,2,6-trimethyl-5-nitropyridin-1-ium-3-yl)benzamide
CID 139221977
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide
CID 9395656
N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide
CID 5230659
2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
CID 28671223
N-(2-methyl-5-nitro-6-phenyl-3-pyridinyl)benzamide
CID 139221982
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-4-nitrophenyl)benzamide?
The IUPAC name of N-(2,3-dimethyl-4-nitrophenyl)benzamide (CID 156690206) is N-(2,3-dimethyl-4-nitrophenyl)benzamide.
What is the SMILES notation for N-(2,3-dimethyl-4-nitrophenyl)benzamide?
The canonical SMILES for N-(2,3-dimethyl-4-nitrophenyl)benzamide is Cc1c(NC(=O)c2ccccc2)ccc([N+](=O)[O-])c1C.
What is the InChIKey of N-(2,3-dimethyl-4-nitrophenyl)benzamide?
The InChIKey is CBPCYSDUNGLDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-11(2)14(17(19)20)9-8-13(10)16-15(18)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,18).
What are the key properties of N-(2,3-dimethyl-4-nitrophenyl)benzamide?
N-(2,3-dimethyl-4-nitrophenyl)benzamide has a molecular weight of 270.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 156690206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).